| CAS Number | 359415-47-7 |
| Catalog Number | AG00C7EV(AGN-PC-0RBELH) |
| Chemical Name | 2,6-bis(4-carboxylato-2-pyridyl)pyridine-4-carboxylate ruthenium(II) tetrabutylammonium triisothiocyanate |
| InChI | InChI=1S/C18H11N3O6.C16H36N.3CNS.Ru/c22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3*2-1-3;/h1-8H,(H,22,23)(H,24,25)(H,26,27);5-16H2,1-4H3;;;;/q;+1;3*-1;+2/p-3 |
| InChI Key | USXOLPFDCBFPDY-UHFFFAOYSA-K |
| MDL Number | MFCD28016340 |
| Molecular Formula | C21H9N6O6RuS3 |
| Molecular Weight | 638.5978 |
| SMILES | [O-]C(=O)c1cc(nc(c1)c1nccc(c1)C(=O)[O-])c1nccc(c1)C(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2] |
| Synonyms | 2,6-bis(4-carboxylato-2-pyridyl)pyridine-4-carboxylate, ruthenium(II), tetrabutylammonium, triisothiocyanate,
359415-47-7,
|
| Complexity | 886 |
| Compound Is Canonicalized | No |
| Covalently-Bonded Unit Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 880.155861g/mol |
| Formal Charge | -3 |
| Heavy Atom Count | 54 |
| Hydrogen Bond Acceptor Count | 15 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 880.1g/mol |
| Monoisotopic Mass | 880.155861g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 258Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number